Product Name: Schisandrin (CAS NO.7432-28-2)
Molecular Formula: C24H32O7
Molar mass: 750.9986 g/mol
Density: 1.135 g/cm3
Flash Point: 302.6 °C
Index of Refraction: 1.535
Boiling Point: 576.7 °C at 760 mmHg
Vapour Pressure: 3.87E-14 mmHg at 25°C
Molar Volume: 380.9 cm3 Polarizability: 47.02 10-24cm3
Surface Tension: 36.5 dyne/cm
Enthalpy of Vaporization: 90.83 kJ/mol
XLogP3-AA: 4
H-Bond Donor: 1
H-Bond Acceptor: 7
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Isomeric SMILES: C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@]1(C)O)OC)OC)OC)OC)OC)OC
InChI: InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1
InChIKey: YEFOAORQXAOVJQ-RZFZLAGVSA-N
Product categories: Miscellaneous Natural Products; Natural Plant Extract
1. | orl-mus LDLo:250 mg/kg | CMJODS Chinese Medical Journal (Beijing, English Edition). New Series. (Guozi Shudian, Beijing, Peoples Republic of China) V.1- 1975- 93 (1980),41. | ||
2. | ipr-mus LDLo:250 mg/kg | CMJODS Chinese Medical Journal (Beijing, English Edition). New Series. (Guozi Shudian, Beijing, Peoples Republic of China) V.1- 1975- 93 (1980),41. | ||
3. | scu-mus LD50:1861 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 101 (1981),1030. |
Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits acrid smoke and irritating fumes.
Schisandrin (CAS NO.7432-28-2) also can be called Schisandrol A and Dibenzo(a,c)cycloocten-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2 3,10,11,12-hexamethoxy-,stereoisomer .
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